Opportunities and challenges for machine learning-assisted enzyme engineering

J Yang, FZ Li, FH Arnold - ACS Central Science, 2024 - ACS Publications
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …

Accelerating biocatalysis discovery with machine learning: a paradigm shift in enzyme engineering, discovery, and design

B Markus, K Andreas, K Arkadij, L Stefan, O Gustav… - ACS …, 2023 - ACS Publications
Emerging computational tools promise to revolutionize protein engineering for biocatalytic
applications and accelerate the development timelines previously needed to optimize an …

A library approach for the de novo high-throughput isolation of humanized VHH domains with favorable developability properties following camelid immunization

P Arras, HB Yoo, L Pekar, C Schröter, T Clarke, S Krah… - MAbs, 2023 - Taylor & Francis
In this study, we generated a novel library approach for high throughput de novo
identification of humanized single-domain antibodies following camelid immunization. To …

Automated in vivo enzyme engineering accelerates biocatalyst optimization

E Orsi, L Schada von Borzyskowski, S Noack… - Nature …, 2024 - nature.com
Achieving cost-competitive bio-based processes requires development of stable and
selective biocatalysts. Their realization through in vitro enzyme characterization and …

AI/ML combined with next-generation sequencing of VHH immune repertoires enables the rapid identification of de novo humanized and sequence-optimized single …

P Arras, HB Yoo, L Pekar, T Clarke… - Frontiers in Molecular …, 2023 - frontiersin.org
Introduction: In this study, we demonstrate the feasibility of yeast surface display (YSD) and
nextgeneration sequencing (NGS) in combination with artificial intelligence and machine …

人工智能时代下的酶工程

康里奇, 谈攀, 洪亮 - 合成生物学, 2023 - synbioj.cip.com.cn
自然界中存在的酶拥有多种多样的功能, 它们已经被应用在工业生产和学术研究中,
但其中许多酶的性质和功能还不能完全满足应用需要, 通过改造来提升这类酶的某些特性是酶 …

STAR: A Web Server for Assisting Directed Protein Evolution with Machine Learning

L Yang, X Liang, N Zhang, L Lu - ACS omega, 2023 - ACS Publications
Protein engineering has made significant contributions to industries such as agriculture,
food, and pharmaceuticals. In recent years, directed evolution combined with artificial …

[HTML][HTML] Machine learning for metabolic pathway optimization: A review

Y Cheng, X Bi, Y Xu, Y Liu, J Li, G Du, X Lv… - Computational and …, 2023 - Elsevier
Optimizing the metabolic pathways of microbial cell factories is essential for establishing
viable biotechnological production processes. However, due to the limited understanding of …

Bayesian optimization in drug discovery

L Colliandre, C Muller - High Performance Computing for Drug Discovery …, 2023 - Springer
Drug discovery deals with the search for initial hits and their optimization toward a targeted
clinical profile. Throughout the discovery pipeline, the candidate profile will evolve, but the …

In Silico Approaches to Deliver Better Antibodies by Design: The Past, the Present and the Future

A Evers, S Malhotra, VD Sood - arXiv preprint arXiv:2305.07488, 2023 - arxiv.org
The recognition of the importance of drug-like properties beyond potency to reduce clinical
attrition of biologics has driven significant progress in the development of in vitro and in …